ChemSpider 2D Image | brevicomin | C9H16O2

brevicomin

  • Molecular FormulaC9H16O2
  • Average mass156.222 Da
  • Monoisotopic mass156.115036 Da
  • ChemSpider ID28286692

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

Featured data source
Natural Product Updates

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5S,7R)-7-Ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]octan [German] [ACD/IUPAC Name]
(5S,7R)-7-Ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane [ACD/IUPAC Name]
(5S,7R)-7-Éthyl-5-méthyl-6,8-dioxabicyclo[3.2.1]octane [French] [ACD/IUPAC Name]
20290-99-7 [RN]
6,8-Dioxabicyclo[3.2.1]octane, 7-ethyl-5-methyl-, (5S,7R)- [ACD/Index Name]
brevicomin
KPU1SW45CD
(+)-exo-brevicomin
UNII:KPU1SW45CD

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 201.4±8.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.0±3.0 kJ/mol
Flash Point: 71.9±12.3 °C
Index of Refraction: 1.457
Molar Refractivity: 42.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 12.48
ACD/KOC (pH 5.5): 211.93
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.48
ACD/KOC (pH 7.4): 211.93
Polar Surface Area: 18 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 157.4±3.0 cm3

Click to predict properties on the Chemicalize site


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